- InChI
- InChI=1S/C11H14OS/c1-8(2)10-4-6-11(7-5-10)13-9(3)12/h4-8H,1-3H3
- InChI Key
- QMBWRQVNMADNBE-UHFFFAOYSA-N
- Formula
- C11H14OS
- SMILES
- CC(=O)Sc1ccc(C(C)C)cc1
- Molecular Weight1
- 194.29
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 46.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -121.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.19 | kJ/mol | Joback Calculated Property |
| log10WS | -3.59 | Crippen Calculated Property | |
| logPoct/wat | 3.449 | Crippen Calculated Property | |
| McVol | 160.010 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Inp | 1530.70 | NIST | |
| Tboil | 604.95 | K | Joback Calculated Property |
| Tc | 841.20 | K | Joback Calculated Property |
| Tfus | 322.00 | K | Joback Calculated Property |
| Vc | 0.598 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.21; 448.81] | J/mol×K | [604.95; 841.20] | 
|
| Cp,gas | 374.21 | J/mol×K | 604.95 | Joback Calculated Property |
| Cp,gas | 389.04 | J/mol×K | 644.33 | Joback Calculated Property |
| Cp,gas | 402.87 | J/mol×K | 683.70 | Joback Calculated Property |
| Cp,gas | 415.73 | J/mol×K | 723.08 | Joback Calculated Property |
| Cp,gas | 427.66 | J/mol×K | 762.45 | Joback Calculated Property |
| Cp,gas | 438.67 | J/mol×K | 801.83 | Joback Calculated Property |
| Cp,gas | 448.81 | J/mol×K | 841.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Isopropylbenzenethiol, S-acetyl-.
Sources
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